High Resolution Imaging, Spectroscopy and Nuclear Quantum Effects of Interfacial Water by Jing Guo

Author:Jing Guo
Language: eng
Format: epub, pdf
ISBN: 9789811316630
Publisher: Springer Singapore

In the following, we show the possibility of applying the orbital-imaging technique to water tetramers. The water tetramer appears as a featureless square protrusion at a large tip-molecule separation (Fig. 3.9a), which splits into four equivalent lobes as the tip height decreases (Fig. 3.9b). The geometric center of the tetramer is right above the Cl− with the four water molecules adsorbed on the Na+ (Fig. 3.9b). The calculated most stable tetramer structure (Fig. 3.9c, d) shows that each water molecule donates and accepts just one H-bond yielding a cyclic tetramer. The other four free OH bonds point obliquely upward away from the surface. The observed flat tetramer is more stable than the buckled one predicted by Yang et al. [29].

Fig. 3.9Orbital imaging of water tetramers. a, b STM images of a water tetramer acquired at different tunneling gaps. The white square grid in (b) denotes the sub-lattice of Cl−. c, d Calculated adsorption structure of a tetramer. e–l HOMO imaging of a water tetramer with two different chiral states, anticlockwise (e–h) and clockwise (i–l). H-bonded loops with different tip-water coupling strength. h, l Calculated HOMO of the two chiral tetramers by plotting isosurfaces of charge densities integrated over 1 eV of the HOMO tail close to EF. Set point of the STM images: a 40 mV, 10 pA; b 10 mV, 50 pA; e and i 10 mV, 80 pA; g and k10 mV, 140 pA. The STM images were obtained at 5 K.

Reproduced with permission from Ref. [14]

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